9H-Purine,6-chloro-9-(phenylmethyl)
9H-Purine,6-chloro-9-(phenylmethyl) structure
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Common Name | 9H-Purine,6-chloro-9-(phenylmethyl) | ||
|---|---|---|---|---|
| CAS Number | 1928-76-3 | Molecular Weight | 244.68000 | |
| Density | 1.4g/cm3 | Boiling Point | 441ºC at 760mmHg | |
| Molecular Formula | C12H9ClN4 | Melting Point | 86-87ºC | |
| MSDS | N/A | Flash Point | 220.5ºC | |
Summary: 6-Chloro-9-benzylpurine (Chinese name: 6-氯-9-(苯基甲基)-9H-嘌呤)，CAS number 1928-76-3，molecular formula C12H9ClN4，molecular weight 244.68000。A grey-white solid，melting point 86-87ºC，boiling point 441ºC at 760mmHg，density 1.4g/cm3。For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Chloro-9-benzylpurine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.4g/cm3 |
|---|---|
| Boiling Point | 441ºC at 760mmHg |
| Melting Point | 86-87ºC |
| Molecular Formula | C12H9ClN4 |
| Molecular Weight | 244.68000 |
| Flash Point | 220.5ºC |
| Exact Mass | 244.05200 |
| PSA | 43.60000 |
| LogP | 2.52800 |
| Vapour Pressure | 5.64E-08mmHg at 25°C |
| Index of Refraction | 1.706 |
| InChIKey | NKEFCVAMNJICJZ-UHFFFAOYSA-N |
| SMILES | Clc1ncnc2c1ncn2Cc1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 9 | |
CAS#:100-39-0
CAS#:87-42-3
CAS#:100-44-7
CAS#:15948-97-7
CAS#:122-51-0
CAS#:100-51-6
CAS#:4261-14-7
CAS#:1258274-70-2
CAS#:14013-11-7
CAS#:66224-66-6
CAS#:108160-09-4
CAS#:292036-87-4
CAS#:333780-81-7
CAS#:25491-56-9
CAS#:160516-13-2
CAS#:81060-73-3
CAS#:83135-02-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human Rho-dependent protein kinase-II at 30 uM
Source: ChEMBL
Target: Rho-associated protein kinase 1
External Id: CHEMBL831996
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Name: Inhibition of human Glycogen synthase kinase-3 beta at 30 uM
Source: ChEMBL
Target: Glycogen synthase kinase-3 beta
External Id: CHEMBL831995
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Name: Inhibition of human lymphocyte protein tyrosine kinase Lck at 30 uM
Source: ChEMBL
Target: Tyrosine-protein kinase Lck
External Id: CHEMBL832023
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Name: Inhibition of human stress-activated protein kinase-2 alpha (p38 MAP-kinase) at 30 uM
Source: ChEMBL
Target: Mitogen-activated protein kinase 14
External Id: CHEMBL830639
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Name: Inhibition of human Mitogen-activated protein kinase 2 at 30 uM
Source: ChEMBL
Target: Mitogen-activated protein kinase 1
External Id: CHEMBL832022
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Name: Inhibition of human Protein kinase B alpha at 30 uM
Source: ChEMBL
Target: RAC-alpha serine/threonine-protein kinase
External Id: CHEMBL830592
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Name: Inhibition of human RAF proto-oncogene serine/threonine-protein kinase at 30 uM
Source: ChEMBL
Target: RAF proto-oncogene serine/threonine-protein kinase
External Id: CHEMBL832054
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Name: Inhibition of human c-Jun N-terminal kinase-2 alpha-2 at 30 uM
Source: ChEMBL
Target: Mitogen-activated protein kinase 9
External Id: CHEMBL832006
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Name: Inhibition of human c-Jun N-terminal kinase-1 alpha-1 at 30 uM
Source: ChEMBL
Target: Mitogen-activated protein kinase 8
External Id: CHEMBL832005
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Name: Inhibition of human Protein kinase C alpha
Source: ChEMBL
Target: Protein kinase C alpha type
External Id: CHEMBL831280
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 9-benzyl-6-chloropurine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 6-Chloro-9-benzylpurine? |
| A: Related downstream products(CAS) of 6-Chloro-9-benzylpurine: 108160-09-4;4261-14-7;292036-87-4;333780-81-7;14013-11-7;25491-56-9;160516-13-2;81060-73-3;83135-02-8. |
| Q: What English synonyms does 6-Chloro-9-benzylpurine have? |
| A: English synonyms of 6-Chloro-9-benzylpurine: 9-benzyl-6-chloropurine. |
| Q: What are the upstream materials of 6-Chloro-9-benzylpurine? |
| A: Related upstream materials(CAS) of 6-Chloro-9-benzylpurine: 100-39-0;87-42-3;100-44-7;15948-97-7;122-51-0;100-51-6;4261-14-7;1258274-70-2;14013-11-7;66224-66-6. |
| Q: What is the boiling point of 6-Chloro-9-benzylpurine? |
| A: Boiling point of 6-Chloro-9-benzylpurine is 441ºC at 760mmHg. |
| Q: What is the LogP of 6-Chloro-9-benzylpurine? |
| A: LogP of 6-Chloro-9-benzylpurine is 2.52800. |
| Q: What is the molecular formula of 6-Chloro-9-benzylpurine? |
| A: Molecular formula of 6-Chloro-9-benzylpurine is C12H9ClN4. |
| Q: What is the polar surface area (PSA) of 6-Chloro-9-benzylpurine? |
| A: Polar surface area (PSA) of 6-Chloro-9-benzylpurine is 43.60000. |
| Q: What is the English name of 6-Chloro-9-benzylpurine? |
| A: The English name of 6-Chloro-9-benzylpurine is 6-Chloro-9-benzylpurine. |
| Q: What is the SMILES notation of 6-Chloro-9-benzylpurine? |
| A: SMILES notation of 6-Chloro-9-benzylpurine is Clc1ncnc2c1ncn2Cc1ccccc1. |
| Q: What is the CAS number of 6-Chloro-9-benzylpurine? |
| A: CAS number of 6-Chloro-9-benzylpurine is 1928-76-3. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |